rel-(9xi,13xi,14xi,16xi,17xi)-7-bromo-5-hydroxy-6-oxo-8xi,10xi-spirostan-3-yl acetate
Chemical Structure Depiction of
rel-(9xi,13xi,14xi,16xi,17xi)-7-bromo-5-hydroxy-6-oxo-8xi,10xi-spirostan-3-yl acetate
rel-(9xi,13xi,14xi,16xi,17xi)-7-bromo-5-hydroxy-6-oxo-8xi,10xi-spirostan-3-yl acetate
Compound characteristics
| Compound ID: | N039-0029 |
| Compound Name: | rel-(9xi,13xi,14xi,16xi,17xi)-7-bromo-5-hydroxy-6-oxo-8xi,10xi-spirostan-3-yl acetate |
| Molecular Weight: | 567.56 |
| Molecular Formula: | C29 H43 Br O6 |
| Smiles: | CC1CC[C@@]2([C@@H](C)C3C(CC4C5C(CCC34C)C3(C)CCC(C[C@@]3(C([C@H]5[Br])=O)O)OC(C)=O)O2)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8773 |
| logD: | 4.8773 |
| logSw: | -5.3441 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.489 |
| InChI Key: | NZMXPNPAWOZZDY-HPUOTOOVSA-N |